N,2-dimethyl-2-{methyl[(2-phenylphenyl)methyl]amino}propanamide

• ChemBase编号: 624644
• 分子式: C19H24N2O
• 平均质量: 296.40666
• 单一同位素质量: 296.1888634
• SMILES: C(N(Cc1c(c2ccccc2)cccc1)C)(C(=O)NC)(C)C
• Canonical SMILES: CNC(=O)C(N(Cc1ccccc1c1ccccc1)C)(C)C
• InChI: InChI=1S/C19H24N2O/c1-19(2,18(22)20-3)21(4)14-16-12-8-9-13-17(16)15-10-6-5-7-11-15/h5-13H,14H2,1-4H3,(H,20,22)
• InChIKey: YCXSKOANVQKUCX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,2-dimethyl-2-{methyl[(2-phenylphenyl)methyl]amino}propanamide
• IUPAC传统名: N,2-dimethyl-2-{methyl[(2-phenylphenyl)methyl]amino}propanamide
• 别名: 2-[(biphenyl-2-ylmethyl)(methyl)amino]-N,2-dimethylpropanamide

理论计算性质

JChem

• Acid pKa: 16.037132
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.6753655
• LogD (pH = 7.4): 2.4414363
• Log P: 3.4581149
• 摩尔折射率: 91.7476 cm^3
• 极化性: 37.000965 Å^3
• 极化表面积: 32.34 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 1
• Log P: 3.38
• LOG S: -4.25
• 极化表面积: 32.34 Å^2
• 可自由旋转的化学键: 5